N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C17H18N2O3S — CID 38477709

IUPACN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc[nH]c1=S
InChIInChI=1S/C17H18N2O3S/c20-16(15-7-2-8-18-17(15)23)19-12-4-1-5-13(10-12)22-11-14-6-3-9-21-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,23)(H,19,20)/t14-/m0/s1
InChIKeyWJEQKNPFGDXNAH-AWEZNQCLSA-N
MW330.41 g/mol
LogP3.55
Rot. Bonds5

About N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 38477709) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID38477709
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc[nH]c1=S
InChIInChI=1S/C17H18N2O3S/c20-16(15-7-2-8-18-17(15)23)19-12-4-1-5-13(10-12)22-11-14-6-3-9-21-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,23)(H,19,20)/t14-/m0/s1
InChIKeyWJEQKNPFGDXNAH-AWEZNQCLSA-N
XLogP3.55
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51964249
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 38477709) is N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc[nH]c1=S.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is WJEQKNPFGDXNAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(15-7-2-8-18-17(15)23)19-12-4-1-5-13(10-12)22-11-14-6-3-9-21-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,23)(H,19,20)/t14-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38477709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).